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89648-88-4 | Ethanethioic acid, S-[4-methyl-1-(1-methyl-1-propenyl)-3-pentenyl] ester
CAS No: 89648-88-4 Catalog No: AG003VGW MDL No:
Product Description
Catalog Number:
AG003VGW
Chemical Name:
Ethanethioic acid, S-[4-methyl-1-(1-methyl-1-propenyl)-3-pentenyl] ester
CAS Number:
89648-88-4
Molecular Formula:
C12H20OS
Molecular Weight:
212.3516
IUPAC Name:
S-(3,7-dimethylocta-2,6-dien-4-yl) ethanethioate
InChI:
InChI=1S/C12H20OS/c1-6-10(4)12(14-11(5)13)8-7-9(2)3/h6-7,12H,8H2,1-5H3
InChI Key:
VJNIKVORARFICH-UHFFFAOYSA-N
SMILES:
CC=C(C(SC(=O)C)CC=C(C)C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.123g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.351g/mol
Monoisotopic Mass:
212.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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